6-azanyl-4-(2-bromanyl-4,5-dimethoxy-phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-4-(2-bromanyl-4,5-dimethoxy-phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-4-(2-bromo-4,5-dimethoxy-phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-4-(2-bromo-4,5-dimethoxy-phenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17BrN4O3 MolecularWeight: 453.28868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)Br)OC

InChI

InChI=1S/C21H17BrN4O3/c1-27-15-8-12(14(22)9-16(15)28-2)17-13(10-23)20(24)29-21-18(17)19(25-26-21)11-6-4-3-5-7-11/h3-9,17H,24H2,1-2H3,(H,25,26)